N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide

C20H25NO4 — CID 166225273

IUPACN-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide
SMILESCOC1(CNC(=O)CCOc2ccc3ccccc3c2)CCOCC1
InChIInChI=1S/C20H25NO4/c1-23-20(9-12-24-13-10-20)15-21-19(22)8-11-25-18-7-6-16-4-2-3-5-17(16)14-18/h2-7,14H,8-13,15H2,1H3,(H,21,22)
InChIKeyPQBORAMNYJJFNX-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.92
Rot. Bonds7

About N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide

N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide (PubChem CID 166225273) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide
PubChem CID166225273
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide
SMILESCOC1(CNC(=O)CCOc2ccc3ccccc3c2)CCOCC1
InChIInChI=1S/C20H25NO4/c1-23-20(9-12-24-13-10-20)15-21-19(22)8-11-25-18-7-6-16-4-2-3-5-17(16)14-18/h2-7,14H,8-13,15H2,1H3,(H,21,22)
InChIKeyPQBORAMNYJJFNX-UHFFFAOYSA-N
XLogP2.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 56765194
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 129397645
2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide
CID 90523286
4-[[5-(3-methylphenoxy)pentanoylamino]methyl]oxane-4-carboxylic acid
CID 120541660
2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide
CID 60571880
3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 56787210
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 120890968
N-[(1-hydroxycyclobutyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 111445201
4-[(3-phenylsulfanylpropanoylamino)methyl]oxane-4-carboxylic acid
CID 120542743
N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide
CID 127264719
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide?
The IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide (CID 166225273) is N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide.
What is the SMILES notation for N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide?
The canonical SMILES for N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide is COC1(CNC(=O)CCOc2ccc3ccccc3c2)CCOCC1.
What is the InChIKey of N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide?
The InChIKey is PQBORAMNYJJFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-23-20(9-12-24-13-10-20)15-21-19(22)8-11-25-18-7-6-16-4-2-3-5-17(16)14-18/h2-7,14H,8-13,15H2,1H3,(H,21,22).
What are the key properties of N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide?
N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide has a molecular weight of 343.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 166225273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).